5-(1-benzofuran-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(1-benzofuran-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(benzofuran-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-benzofuranyl)-3-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(1-benzofuran-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(benzofuran-2-yl)-3-[(4-nitrobenzyl)thio]-1H-1,2,4-triazole Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=NC(=NN3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NC(=NN3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O3S/c22-21(23)13-7-5-11(6-8-13)10-25-17-18-16(19-20-17)15-9-12-3-1-2-4-14(12)24-15/h1-9H,10H2,(H,18,19,20)